UCSF

ZINC39386050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 13 Yes

CAS Number: 232-89-3

Other Names:

3H-Benzo[e]indazole

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.79 5.41 -6.62 1 2 0 29 168.199 0
Mid Mid (pH 6-8) 2.79 5.5 -8.85 1 2 0 29 168.199 0

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )